EuTh3

Traditional Materials TRA

MP-ID: mp-1184539 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuTh3

MP-ID

mp-1184539

Elements

Sites

Density

10.6322

g/cm³

Volume

264.91

Å³

Cell a

7.1766

Cell b

7.1766

Cell c

5.9392

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 22)

2θ	d (Å)	I	hkl
14.25	6.2151	1.0	(1,0,-1,0)
20.69	4.2939	2.0	(1,0,-1,1)
28.73	3.1075	7.6	(2,-2,0,0)
28.73	3.1075	15.3	(2,0,-2,0)
30.09	2.9696	27.1	(0,0,0,2)
32.52	2.7534	100.0	(2,0,-2,1)
42.09	2.1469	16.7	(2,0,-2,2)
50.90	1.7941	19.4	(4,-2,-2,0)
55.00	1.6697	23.2	(2,0,-2,3)
59.49	1.5538	1.0	(4,-4,0,0)
59.49	1.5538	2.0	(4,0,-4,0)
60.27	1.5356	23.6	(4,-2,-2,2)
61.71	1.5032	16.5	(4,0,-4,1)
62.56	1.4848	3.5	(0,0,0,4)
68.11	1.3767	4.1	(4,0,-4,2)
70.26	1.3397	3.8	(2,0,-2,4)
78.21	1.2223	8.5	(4,0,-4,3)
82.05	1.1745	2.5	(6,-2,-4,0)
83.99	1.1522	14.3	(6,-2,-4,1)
84.75	1.1439	9.4	(4,-2,-2,4)
88.02	1.1096	6.5	(2,0,-2,5)
89.79	1.0922	4.2	(6,-2,-4,2)

Get direct link

Energy Properties

Formation Energy/atom

0.17613

eV/atom

Energy/atom

-64.56054

eV/atom

Energy above Hull

0.1761

eV/atom

Uncorrected Energy

-7.9485

eV/atom

Volume/atom

33.11

Å³

c/a Ratio

0.8276

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.8781

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.052390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Th · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.524

Family

Binary Alloy

Matrix Element

Th · 0.750

Related Tasks

Related computation task IDs (2)

aaadvcjp aaaefxou

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184539

Reference Citation

The crystal structure and related material properties of EuTh3 were obtained from the Materials Project database (MP-ID: mp-1184539, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_EuTh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17656423
_cell_length_b   7.17656423
_cell_length_c   5.93923000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuTh3
_chemical_formula_sum   'Eu2 Th6'
_cell_volume   264.90729526
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Eu  Eu0  1  0.33333300  0.66666700  0.75000000  1.0
  Eu  Eu1  1  0.66666700  0.33333300  0.25000000  1.0
  Th  Th2  1  0.16594500  0.33189000  0.25000000  1.0
  Th  Th3  1  0.66811000  0.83405500  0.25000000  1.0
  Th  Th4  1  0.16594500  0.83405500  0.25000000  1.0
  Th  Th5  1  0.83405500  0.66811000  0.75000000  1.0
  Th  Th6  1  0.33189000  0.16594500  0.75000000  1.0
  Th  Th7  1  0.83405500  0.16594500  0.75000000  1.0

Get direct link